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3 similar compounds to monomer 50220995

Compile data set for download or QSAR
Wt: 290.3
BDBM50221002
Wt: 352.4
BDBM50221001
Wt: 343.3
BDBM50221008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50221002,50221001,50221008   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221001
PNG
(CHEMBL76257)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1
Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
2n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221002
PNG
(CHEMBL306320)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(N)N
Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
3.5n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221002
PNG
(CHEMBL306320)
Show SMILES COc1ccc(cc1OC1CCCC1)C(\C)=N\N=C(N)N
Show InChI InChI=1S/C15H22N4O2/c1-10(18-19-15(16)17)11-7-8-13(20-2)14(9-11)21-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H4,16,17,19)/b18-10+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>10n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat liver phosphodiesterase 4


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.83E+5n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against wild type gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.45E+6n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against quinolone resistant gyrase in Escherichia coli


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50221008
PNG
(CHEMBL80587)
Show SMILES C[C@H]1COc2c(ccc3c2n1cc(C(O)=O)c3=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C18H21N3O4/c1-10-9-25-17-14(20-6-2-3-11(19)7-20)5-4-12-15(17)21(10)8-13(16(12)22)18(23)24/h4-5,8,10-11H,2-3,6-7,9,19H2,1H3,(H,23,24)/t10-,11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.45E+6n/an/an/an/an/an/a



Procter& Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mammalian DNA topoisomerase II


Bioorg Med Chem Lett 13: 2373-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00399-8
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50221001
PNG
(CHEMBL76257)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\NC(C)=O)\c1ccccc1
Show InChI InChI=1S/C21H24N2O3/c1-15(24)22-23-21(16-8-4-3-5-9-16)17-12-13-19(25-2)20(14-17)26-18-10-6-7-11-18/h3-5,8-9,12-14,18H,6-7,10-11H2,1-2H3,(H,22,24)/b23-21+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat liver phosphodiesterase 4


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair